Hydrogen Bromide → 1,3-dihydro-1-(1-methylethenyl)-3-[3-[4-[2-(3-methylphenyl)-2-oxoethyl]-1-piperidinyl]propyl]-2H-benzimidazol-2-one

HRID 87899Notes

Reaction equation

HRID 87899 reaction equation
[BrH:18].[CH3:19][c:20]1[cH:21][c:22]([C:26]([CH2:27][CH:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)=[O:34])[cH:23][cH:24][cH:25]1.[CH3:41][CH:42]([CH3:43])[CH2:44][C:45](=[O:46])[CH3:47].[Cl:1][CH2:2][CH2:3][CH2:4][n:5]1[c:6](=[O:17])[n:7]([C:14](=[CH2:15])[CH3:16])[c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:48]>>[CH2:2]([CH2:3][CH2:4][n:5]1[c:6](=[O:17])[n:7]([C:14](=[CH2:15])[CH3:16])[c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2)[N:31]1[CH2:30][CH2:29][CH:28]([CH2:27][C:26]([c:22]2[cH:21][c:20]([CH3:19])[cH:25][cH:24][cH:23]2)=[O:34])[CH2:33][CH2:32]1

Participants

8

Reactant 7

HCID 260Hydrogen BromideHCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30173591-(3-Chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-oneHCID 20288053HCID 20288053, compound

Product 1

HCID 202880281,3-dihydro-1-(1-methylethenyl)-3-[3-[4-[2-(3-methylphenyl)-2-oxoethyl]-1-piperidinyl]propyl]-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-5e6c716aa9484a4bab3e10a86c8be20a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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